1-[3-(azepan-1-yl)propyl]-3-(2-ethylphenyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 1-[3-(azepan-1-yl)propyl]-3-(2-ethylphenyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-[3-(azepan-1-yl)propyl]-3-(2-ethylphenyl)-1-(2-thienylmethyl)thiourea CAS Name: 1-[3-(1-azepanyl)propyl]-3-(2-ethylphenyl)-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 1-[3-(azepan-1-yl)propyl]-3-(2-ethylphenyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-[3-(azepan-1-yl)propyl]-3-(2-ethylphenyl)-1-(2-thenyl)thiourea Formula: C23H33N3S2 MolecularWeight: 415.65822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CCCN2CCCCCC2)CC3=CC=CS3

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CCCN2CCCCCC2)CC3=CC=CS3

InChI

InChI=1S/C23H33N3S2/c1-2-20-11-5-6-13-22(20)24-23(27)26(19-21-12-9-18-28-21)17-10-16-25-14-7-3-4-8-15-25/h5-6,9,11-13,18H,2-4,7-8,10,14-17,19H2,1H3,(H,24,27)